USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 437 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 ASN :FLIP amide:sc= 0.122 F(o=-1.7,f=-0.15) USER MOD Set 1.2: A 56 THR OG1 : rot -84:sc= -0.271 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0.239 USER MOD Set 2.2: A 52 THR OG1 : rot 99:sc= -0.0336 USER MOD Set 3.1: A 45 THR OG1 : rot 7:sc= -0.248! USER MOD Set 3.2: A 54 THR OG1 : rot 152:sc= 0.307 USER MOD Set 4.1: A 29 LYS NZ :NH3+ 180:sc=-0.00105 (180deg=0) USER MOD Set 4.2: A 32 LYS NZ :NH3+ -121:sc= 0.0298 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -147:sc= 0.0766 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -70:sc= 0.986 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 34 TYR OH : rot 150:sc= -0.126 USER MOD Single : A 36 ASN : amide:sc= -0.0734 X(o=-0.073,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.999 X(o=-1,f=-1.4!) USER MOD Single : A 46 TYR OH : rot 180:sc= -1.24 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.409 -14.553 7.854 1.00 0.00 N ATOM 2 CA MET A 1 -2.520 -14.936 6.937 1.00 0.00 C ATOM 3 C MET A 1 -2.608 -13.949 5.768 1.00 0.00 C ATOM 4 O MET A 1 -2.718 -14.342 4.622 1.00 0.00 O ATOM 5 CB MET A 1 -3.784 -14.862 7.795 1.00 0.00 C ATOM 6 CG MET A 1 -4.103 -16.249 8.356 1.00 0.00 C ATOM 7 SD MET A 1 -5.288 -16.090 9.715 1.00 0.00 S ATOM 8 CE MET A 1 -4.263 -16.846 11.000 1.00 0.00 C ATOM 0 H1 MET A 1 -1.360 -15.230 8.642 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.509 -14.563 7.333 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.581 -13.598 8.228 1.00 0.00 H new ATOM 0 HA MET A 1 -2.375 -15.927 6.506 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.642 -14.152 8.610 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.620 -14.498 7.198 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.515 -16.884 7.572 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.190 -16.729 8.709 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.809 -16.853 11.944 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.018 -17.869 10.715 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.344 -16.272 11.117 1.00 0.00 H new ATOM 20 N THR A 2 -2.560 -12.672 6.055 1.00 0.00 N ATOM 21 CA THR A 2 -2.641 -11.653 4.967 1.00 0.00 C ATOM 22 C THR A 2 -1.291 -10.938 4.795 1.00 0.00 C ATOM 23 O THR A 2 -0.527 -11.255 3.904 1.00 0.00 O ATOM 24 CB THR A 2 -3.742 -10.676 5.415 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.982 -11.366 5.478 1.00 0.00 O ATOM 26 CG2 THR A 2 -3.851 -9.522 4.411 1.00 0.00 C ATOM 0 H THR A 2 -2.468 -12.292 6.997 1.00 0.00 H new ATOM 0 HA THR A 2 -2.872 -12.098 3.999 1.00 0.00 H new ATOM 0 HB THR A 2 -3.493 -10.275 6.397 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.710 -10.752 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.632 -8.833 4.732 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.899 -8.993 4.359 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.100 -9.918 3.427 1.00 0.00 H new ATOM 34 N THR A 3 -1.002 -9.965 5.626 1.00 0.00 N ATOM 35 CA THR A 3 0.281 -9.203 5.506 1.00 0.00 C ATOM 36 C THR A 3 0.469 -8.673 4.084 1.00 0.00 C ATOM 37 O THR A 3 0.929 -9.379 3.205 1.00 0.00 O ATOM 38 CB THR A 3 1.405 -10.176 5.857 1.00 0.00 C ATOM 39 OG1 THR A 3 1.106 -10.821 7.087 1.00 0.00 O ATOM 40 CG2 THR A 3 2.721 -9.395 5.986 1.00 0.00 C ATOM 0 H THR A 3 -1.607 -9.664 6.390 1.00 0.00 H new ATOM 0 HA THR A 3 0.279 -8.342 6.174 1.00 0.00 H new ATOM 0 HB THR A 3 1.502 -10.928 5.074 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.826 -11.447 7.312 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.529 -10.082 6.237 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.945 -8.901 5.041 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.624 -8.647 6.773 1.00 0.00 H new ATOM 48 N PHE A 4 0.125 -7.435 3.858 1.00 0.00 N ATOM 49 CA PHE A 4 0.287 -6.852 2.492 1.00 0.00 C ATOM 50 C PHE A 4 1.486 -5.911 2.470 1.00 0.00 C ATOM 51 O PHE A 4 1.562 -4.976 3.238 1.00 0.00 O ATOM 52 CB PHE A 4 -1.010 -6.090 2.223 1.00 0.00 C ATOM 53 CG PHE A 4 -1.991 -7.016 1.553 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.795 -7.390 0.221 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.085 -7.512 2.267 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.694 -8.260 -0.401 1.00 0.00 C ATOM 57 CE2 PHE A 4 -3.986 -8.382 1.643 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.790 -8.757 0.310 1.00 0.00 C ATOM 0 H PHE A 4 -0.261 -6.801 4.558 1.00 0.00 H new ATOM 0 HA PHE A 4 0.466 -7.613 1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.426 -5.712 3.157 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.814 -5.225 1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.948 -7.006 -0.328 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.235 -7.225 3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.542 -8.548 -1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.834 -8.764 2.192 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.485 -9.430 -0.170 1.00 0.00 H new ATOM 68 N LYS A 5 2.426 -6.152 1.600 1.00 0.00 N ATOM 69 CA LYS A 5 3.623 -5.269 1.537 1.00 0.00 C ATOM 70 C LYS A 5 3.380 -4.139 0.537 1.00 0.00 C ATOM 71 O LYS A 5 2.368 -4.116 -0.141 1.00 0.00 O ATOM 72 CB LYS A 5 4.761 -6.172 1.063 1.00 0.00 C ATOM 73 CG LYS A 5 5.001 -7.277 2.092 1.00 0.00 C ATOM 74 CD LYS A 5 4.182 -8.512 1.717 1.00 0.00 C ATOM 75 CE LYS A 5 4.941 -9.774 2.132 1.00 0.00 C ATOM 76 NZ LYS A 5 3.884 -10.791 2.388 1.00 0.00 N ATOM 0 H LYS A 5 2.417 -6.921 0.930 1.00 0.00 H new ATOM 0 HA LYS A 5 3.850 -4.806 2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.513 -6.609 0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.670 -5.586 0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.061 -7.529 2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.720 -6.930 3.086 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.211 -8.481 2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.994 -8.524 0.643 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.622 -10.101 1.347 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.543 -9.598 3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.327 -11.686 2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.255 -10.455 3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.331 -10.943 1.520 1.00 0.00 H new ATOM 90 N LEU A 6 4.292 -3.202 0.435 1.00 0.00 N ATOM 91 CA LEU A 6 4.091 -2.078 -0.533 1.00 0.00 C ATOM 92 C LEU A 6 5.428 -1.529 -1.030 1.00 0.00 C ATOM 93 O LEU A 6 6.171 -0.920 -0.283 1.00 0.00 O ATOM 94 CB LEU A 6 3.354 -0.989 0.259 1.00 0.00 C ATOM 95 CG LEU A 6 2.505 -0.067 -0.653 1.00 0.00 C ATOM 96 CD1 LEU A 6 2.363 1.305 0.017 1.00 0.00 C ATOM 97 CD2 LEU A 6 3.151 0.133 -2.040 1.00 0.00 C ATOM 0 H LEU A 6 5.157 -3.166 0.974 1.00 0.00 H new ATOM 0 HA LEU A 6 3.537 -2.411 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.707 -1.458 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.080 -0.387 0.805 1.00 0.00 H new ATOM 0 HG LEU A 6 1.535 -0.544 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.767 1.960 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.871 1.189 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.351 1.742 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.521 0.786 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.135 0.587 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.254 -0.832 -2.536 1.00 0.00 H new ATOM 109 N ILE A 7 5.718 -1.700 -2.295 1.00 0.00 N ATOM 110 CA ILE A 7 6.983 -1.150 -2.852 1.00 0.00 C ATOM 111 C ILE A 7 6.762 0.329 -3.142 1.00 0.00 C ATOM 112 O ILE A 7 5.883 0.691 -3.907 1.00 0.00 O ATOM 113 CB ILE A 7 7.238 -1.933 -4.147 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.464 -3.419 -3.822 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.473 -1.367 -4.862 1.00 0.00 C ATOM 116 CD1 ILE A 7 8.681 -3.585 -2.902 1.00 0.00 C ATOM 0 H ILE A 7 5.130 -2.198 -2.964 1.00 0.00 H new ATOM 0 HA ILE A 7 7.833 -1.243 -2.176 1.00 0.00 H new ATOM 0 HB ILE A 7 6.370 -1.836 -4.799 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.577 -3.832 -3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.617 -3.980 -4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.650 -1.926 -5.781 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.305 -0.317 -5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.343 -1.455 -4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.828 -4.642 -2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.568 -3.191 -3.398 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.512 -3.040 -1.973 1.00 0.00 H new ATOM 128 N ILE A 8 7.524 1.189 -2.521 1.00 0.00 N ATOM 129 CA ILE A 8 7.319 2.644 -2.757 1.00 0.00 C ATOM 130 C ILE A 8 8.291 3.151 -3.825 1.00 0.00 C ATOM 131 O ILE A 8 9.494 3.034 -3.683 1.00 0.00 O ATOM 132 CB ILE A 8 7.595 3.372 -1.433 1.00 0.00 C ATOM 133 CG1 ILE A 8 6.976 2.620 -0.230 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.009 4.787 -1.528 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.447 2.705 -0.247 1.00 0.00 C ATOM 0 H ILE A 8 8.270 0.950 -1.868 1.00 0.00 H new ATOM 0 HA ILE A 8 6.302 2.828 -3.102 1.00 0.00 H new ATOM 0 HB ILE A 8 8.672 3.414 -1.269 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.284 1.575 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.355 3.043 0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.195 5.321 -0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.480 5.321 -2.353 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.935 4.725 -1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.043 2.167 0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.140 3.750 -0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.068 2.259 -1.166 1.00 0.00 H new ATOM 147 N ASN A 9 7.781 3.721 -4.884 1.00 0.00 N ATOM 148 CA ASN A 9 8.673 4.249 -5.959 1.00 0.00 C ATOM 149 C ASN A 9 8.656 5.784 -5.947 1.00 0.00 C ATOM 150 O ASN A 9 8.418 6.416 -6.959 1.00 0.00 O ATOM 151 CB ASN A 9 8.086 3.711 -7.263 1.00 0.00 C ATOM 152 CG ASN A 9 8.993 4.101 -8.432 1.00 0.00 C ATOM 153 OD1 ASN A 9 8.624 5.061 -9.235 1.00 0.00 O flip ATOM 154 ND2 ASN A 9 10.049 3.527 -8.615 1.00 0.00 N flip ATOM 0 H ASN A 9 6.783 3.844 -5.052 1.00 0.00 H new ATOM 0 HA ASN A 9 9.710 3.941 -5.828 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.989 2.627 -7.210 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.085 4.113 -7.416 1.00 0.00 H new ATOM 0 HD21 ASN A 9 10.337 2.777 -7.987 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.647 3.796 -9.396 1.00 0.00 H new ATOM 161 N GLY A 10 8.902 6.381 -4.806 1.00 0.00 N ATOM 162 CA GLY A 10 8.898 7.874 -4.718 1.00 0.00 C ATOM 163 C GLY A 10 10.249 8.366 -4.184 1.00 0.00 C ATOM 164 O GLY A 10 11.267 7.728 -4.374 1.00 0.00 O ATOM 0 H GLY A 10 9.106 5.898 -3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.706 8.305 -5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.094 8.207 -4.062 1.00 0.00 H new ATOM 168 N LYS A 11 10.261 9.498 -3.522 1.00 0.00 N ATOM 169 CA LYS A 11 11.546 10.039 -2.977 1.00 0.00 C ATOM 170 C LYS A 11 11.524 10.048 -1.442 1.00 0.00 C ATOM 171 O LYS A 11 12.560 10.026 -0.803 1.00 0.00 O ATOM 172 CB LYS A 11 11.652 11.465 -3.528 1.00 0.00 C ATOM 173 CG LYS A 11 10.443 12.303 -3.082 1.00 0.00 C ATOM 174 CD LYS A 11 10.921 13.538 -2.311 1.00 0.00 C ATOM 175 CE LYS A 11 11.343 14.625 -3.301 1.00 0.00 C ATOM 176 NZ LYS A 11 11.860 15.736 -2.455 1.00 0.00 N ATOM 0 H LYS A 11 9.437 10.070 -3.336 1.00 0.00 H new ATOM 0 HA LYS A 11 12.400 9.428 -3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.574 11.930 -3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.702 11.438 -4.617 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.861 12.609 -3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.785 11.703 -2.453 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.124 13.908 -1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.758 13.275 -1.665 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.109 14.260 -3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.501 14.952 -3.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.169 16.521 -3.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.107 16.067 -1.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.665 15.397 -1.891 1.00 0.00 H new ATOM 190 N THR A 12 10.356 10.072 -0.846 1.00 0.00 N ATOM 191 CA THR A 12 10.272 10.072 0.646 1.00 0.00 C ATOM 192 C THR A 12 10.404 8.641 1.168 1.00 0.00 C ATOM 193 O THR A 12 10.903 8.406 2.252 1.00 0.00 O ATOM 194 CB THR A 12 8.889 10.639 0.969 1.00 0.00 C ATOM 195 OG1 THR A 12 8.634 11.766 0.143 1.00 0.00 O ATOM 196 CG2 THR A 12 8.841 11.059 2.439 1.00 0.00 C ATOM 0 H THR A 12 9.458 10.092 -1.330 1.00 0.00 H new ATOM 0 HA THR A 12 11.064 10.660 1.110 1.00 0.00 H new ATOM 0 HB THR A 12 8.131 9.877 0.785 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.747 12.128 0.349 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.855 11.463 2.670 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.035 10.193 3.071 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.598 11.821 2.625 1.00 0.00 H new ATOM 204 N LEU A 13 9.961 7.686 0.394 1.00 0.00 N ATOM 205 CA LEU A 13 10.052 6.259 0.814 1.00 0.00 C ATOM 206 C LEU A 13 10.905 5.486 -0.196 1.00 0.00 C ATOM 207 O LEU A 13 11.258 6.004 -1.239 1.00 0.00 O ATOM 208 CB LEU A 13 8.610 5.757 0.789 1.00 0.00 C ATOM 209 CG LEU A 13 7.989 5.871 2.179 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.483 5.600 2.085 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.634 4.846 3.115 1.00 0.00 C ATOM 0 H LEU A 13 9.536 7.837 -0.521 1.00 0.00 H new ATOM 0 HA LEU A 13 10.511 6.132 1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.027 6.337 0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.584 4.720 0.455 1.00 0.00 H new ATOM 0 HG LEU A 13 8.157 6.874 2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.036 5.681 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.023 6.330 1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.318 4.596 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.190 4.929 4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.467 3.842 2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.705 5.036 3.180 1.00 0.00 H new ATOM 223 N LYS A 14 11.234 4.251 0.098 1.00 0.00 N ATOM 224 CA LYS A 14 12.057 3.444 -0.850 1.00 0.00 C ATOM 225 C LYS A 14 12.185 1.997 -0.358 1.00 0.00 C ATOM 226 O LYS A 14 13.215 1.596 0.151 1.00 0.00 O ATOM 227 CB LYS A 14 13.435 4.122 -0.894 1.00 0.00 C ATOM 228 CG LYS A 14 14.041 4.180 0.514 1.00 0.00 C ATOM 229 CD LYS A 14 14.781 5.507 0.701 1.00 0.00 C ATOM 230 CE LYS A 14 16.034 5.523 -0.178 1.00 0.00 C ATOM 231 NZ LYS A 14 16.181 6.940 -0.610 1.00 0.00 N ATOM 0 H LYS A 14 10.966 3.768 0.956 1.00 0.00 H new ATOM 0 HA LYS A 14 11.600 3.403 -1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.098 3.571 -1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.340 5.130 -1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.255 4.082 1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.727 3.346 0.660 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.129 6.339 0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.057 5.637 1.747 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.910 5.186 0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.924 4.858 -1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.020 7.032 -1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.335 7.231 -1.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.291 7.548 0.226 1.00 0.00 H new ATOM 245 N GLY A 15 11.148 1.211 -0.516 1.00 0.00 N ATOM 246 CA GLY A 15 11.217 -0.213 -0.066 1.00 0.00 C ATOM 247 C GLY A 15 9.824 -0.712 0.323 1.00 0.00 C ATOM 248 O GLY A 15 8.851 0.014 0.259 1.00 0.00 O ATOM 0 H GLY A 15 10.262 1.492 -0.935 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.624 -0.835 -0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.893 -0.301 0.784 1.00 0.00 H new ATOM 252 N GLU A 16 9.731 -1.953 0.731 1.00 0.00 N ATOM 253 CA GLU A 16 8.409 -2.521 1.136 1.00 0.00 C ATOM 254 C GLU A 16 7.913 -1.831 2.416 1.00 0.00 C ATOM 255 O GLU A 16 8.276 -0.706 2.703 1.00 0.00 O ATOM 256 CB GLU A 16 8.671 -4.020 1.366 1.00 0.00 C ATOM 257 CG GLU A 16 9.644 -4.214 2.534 1.00 0.00 C ATOM 258 CD GLU A 16 10.563 -5.404 2.245 1.00 0.00 C ATOM 259 OE1 GLU A 16 11.093 -5.465 1.148 1.00 0.00 O ATOM 260 OE2 GLU A 16 10.720 -6.233 3.126 1.00 0.00 O ATOM 0 H GLU A 16 10.517 -2.599 0.801 1.00 0.00 H new ATOM 0 HA GLU A 16 7.635 -2.368 0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.732 -4.533 1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.083 -4.468 0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.237 -3.311 2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.090 -4.385 3.457 1.00 0.00 H new ATOM 267 N ILE A 17 7.091 -2.500 3.182 1.00 0.00 N ATOM 268 CA ILE A 17 6.560 -1.902 4.451 1.00 0.00 C ATOM 269 C ILE A 17 5.720 -2.937 5.216 1.00 0.00 C ATOM 270 O ILE A 17 5.675 -2.927 6.426 1.00 0.00 O ATOM 271 CB ILE A 17 5.693 -0.709 4.017 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.090 -0.032 5.252 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.569 -1.188 3.099 1.00 0.00 C ATOM 274 CD1 ILE A 17 6.208 0.588 6.092 1.00 0.00 C ATOM 0 H ILE A 17 6.760 -3.444 2.984 1.00 0.00 H new ATOM 0 HA ILE A 17 7.362 -1.588 5.119 1.00 0.00 H new ATOM 0 HB ILE A 17 6.316 0.005 3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.380 0.737 4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.536 -0.760 5.845 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.959 -0.337 2.796 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.998 -1.661 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.947 -1.909 3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.779 1.070 6.971 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.901 -0.192 6.408 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.742 1.329 5.497 1.00 0.00 H new ATOM 286 N THR A 18 5.053 -3.819 4.503 1.00 0.00 N ATOM 287 CA THR A 18 4.196 -4.875 5.148 1.00 0.00 C ATOM 288 C THR A 18 3.046 -4.220 5.911 1.00 0.00 C ATOM 289 O THR A 18 3.220 -3.222 6.584 1.00 0.00 O ATOM 290 CB THR A 18 5.090 -5.715 6.093 1.00 0.00 C ATOM 291 OG1 THR A 18 5.199 -5.083 7.361 1.00 0.00 O ATOM 292 CG2 THR A 18 6.489 -5.913 5.489 1.00 0.00 C ATOM 0 H THR A 18 5.066 -3.853 3.484 1.00 0.00 H new ATOM 0 HA THR A 18 3.759 -5.527 4.392 1.00 0.00 H new ATOM 0 HB THR A 18 4.624 -6.692 6.219 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.743 -4.272 7.277 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.099 -6.506 6.171 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.403 -6.432 4.534 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.959 -4.942 5.333 1.00 0.00 H new ATOM 300 N ILE A 19 1.866 -4.768 5.787 1.00 0.00 N ATOM 301 CA ILE A 19 0.681 -4.168 6.485 1.00 0.00 C ATOM 302 C ILE A 19 -0.105 -5.237 7.254 1.00 0.00 C ATOM 303 O ILE A 19 0.036 -6.417 7.025 1.00 0.00 O ATOM 304 CB ILE A 19 -0.180 -3.536 5.340 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.436 -2.042 5.657 1.00 0.00 C ATOM 306 CG2 ILE A 19 -1.529 -4.278 5.147 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.575 -1.477 4.783 1.00 0.00 C ATOM 0 H ILE A 19 1.667 -5.603 5.235 1.00 0.00 H new ATOM 0 HA ILE A 19 0.973 -3.426 7.229 1.00 0.00 H new ATOM 0 HB ILE A 19 0.377 -3.631 4.408 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.691 -1.929 6.711 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.476 -1.469 5.487 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.093 -3.805 4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.338 -5.320 4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.106 -4.231 6.071 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.734 -0.426 5.026 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.306 -1.569 3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.491 -2.036 4.974 1.00 0.00 H new ATOM 319 N GLU A 20 -0.986 -4.797 8.104 1.00 0.00 N ATOM 320 CA GLU A 20 -1.868 -5.730 8.851 1.00 0.00 C ATOM 321 C GLU A 20 -3.297 -5.422 8.406 1.00 0.00 C ATOM 322 O GLU A 20 -4.030 -4.725 9.082 1.00 0.00 O ATOM 323 CB GLU A 20 -1.663 -5.394 10.329 1.00 0.00 C ATOM 324 CG GLU A 20 -2.180 -6.546 11.194 1.00 0.00 C ATOM 325 CD GLU A 20 -1.025 -7.493 11.526 1.00 0.00 C ATOM 326 OE1 GLU A 20 -0.621 -8.236 10.646 1.00 0.00 O ATOM 327 OE2 GLU A 20 -0.565 -7.461 12.656 1.00 0.00 O ATOM 0 H GLU A 20 -1.134 -3.810 8.316 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.659 -6.786 8.678 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.606 -5.221 10.530 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.190 -4.473 10.579 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.620 -6.156 12.112 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.967 -7.086 10.667 1.00 0.00 H new ATOM 334 N ALA A 21 -3.682 -5.902 7.246 1.00 0.00 N ATOM 335 CA ALA A 21 -5.037 -5.599 6.722 1.00 0.00 C ATOM 336 C ALA A 21 -5.807 -6.887 6.467 1.00 0.00 C ATOM 337 O ALA A 21 -5.237 -7.916 6.157 1.00 0.00 O ATOM 338 CB ALA A 21 -4.785 -4.855 5.407 1.00 0.00 C ATOM 0 H ALA A 21 -3.108 -6.492 6.643 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.632 -5.012 7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.739 -4.592 4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.215 -3.948 5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.222 -5.496 4.729 1.00 0.00 H new ATOM 344 N VAL A 22 -7.099 -6.832 6.607 1.00 0.00 N ATOM 345 CA VAL A 22 -7.935 -8.042 6.387 1.00 0.00 C ATOM 346 C VAL A 22 -7.741 -8.586 4.964 1.00 0.00 C ATOM 347 O VAL A 22 -7.678 -9.781 4.746 1.00 0.00 O ATOM 348 CB VAL A 22 -9.381 -7.569 6.600 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.726 -6.463 5.590 1.00 0.00 C ATOM 350 CG2 VAL A 22 -10.343 -8.746 6.410 1.00 0.00 C ATOM 0 H VAL A 22 -7.617 -5.993 6.867 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.668 -8.854 7.064 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.479 -7.177 7.612 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.753 -6.133 5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.049 -5.620 5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.621 -6.850 4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.368 -8.407 6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.238 -9.142 5.400 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.109 -9.528 7.133 1.00 0.00 H new ATOM 360 N ASP A 23 -7.644 -7.707 4.004 1.00 0.00 N ATOM 361 CA ASP A 23 -7.450 -8.137 2.592 1.00 0.00 C ATOM 362 C ASP A 23 -6.655 -7.063 1.857 1.00 0.00 C ATOM 363 O ASP A 23 -6.306 -6.049 2.434 1.00 0.00 O ATOM 364 CB ASP A 23 -8.864 -8.271 2.009 1.00 0.00 C ATOM 365 CG ASP A 23 -9.626 -6.939 2.112 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.099 -6.009 2.703 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.728 -6.875 1.593 1.00 0.00 O ATOM 0 H ASP A 23 -7.692 -6.697 4.141 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.901 -9.075 2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.804 -8.581 0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.410 -9.049 2.542 1.00 0.00 H new ATOM 372 N ALA A 24 -6.356 -7.270 0.602 1.00 0.00 N ATOM 373 CA ALA A 24 -5.572 -6.244 -0.141 1.00 0.00 C ATOM 374 C ALA A 24 -6.396 -4.963 -0.270 1.00 0.00 C ATOM 375 O ALA A 24 -5.861 -3.872 -0.317 1.00 0.00 O ATOM 376 CB ALA A 24 -5.287 -6.846 -1.514 1.00 0.00 C ATOM 0 H ALA A 24 -6.618 -8.097 0.065 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.645 -5.985 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.712 -6.137 -2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.717 -7.768 -1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.228 -7.064 -2.018 1.00 0.00 H new ATOM 382 N ALA A 25 -7.703 -5.090 -0.319 1.00 0.00 N ATOM 383 CA ALA A 25 -8.577 -3.884 -0.434 1.00 0.00 C ATOM 384 C ALA A 25 -8.298 -2.921 0.723 1.00 0.00 C ATOM 385 O ALA A 25 -8.111 -1.735 0.524 1.00 0.00 O ATOM 386 CB ALA A 25 -10.013 -4.413 -0.357 1.00 0.00 C ATOM 0 H ALA A 25 -8.200 -5.980 -0.284 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.399 -3.336 -1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.712 -3.580 -0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.188 -5.111 -1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.162 -4.924 0.594 1.00 0.00 H new ATOM 392 N GLU A 26 -8.253 -3.431 1.929 1.00 0.00 N ATOM 393 CA GLU A 26 -7.968 -2.554 3.104 1.00 0.00 C ATOM 394 C GLU A 26 -6.524 -2.065 3.033 1.00 0.00 C ATOM 395 O GLU A 26 -6.255 -0.889 3.187 1.00 0.00 O ATOM 396 CB GLU A 26 -8.183 -3.436 4.337 1.00 0.00 C ATOM 397 CG GLU A 26 -9.540 -3.114 4.971 1.00 0.00 C ATOM 398 CD GLU A 26 -9.382 -1.950 5.950 1.00 0.00 C ATOM 399 OE1 GLU A 26 -9.492 -0.816 5.515 1.00 0.00 O ATOM 400 OE2 GLU A 26 -9.155 -2.214 7.120 1.00 0.00 O ATOM 0 H GLU A 26 -8.401 -4.416 2.149 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.610 -1.674 3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.143 -4.488 4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.384 -3.269 5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.263 -2.857 4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.928 -3.990 5.491 1.00 0.00 H new ATOM 407 N ALA A 27 -5.588 -2.957 2.793 1.00 0.00 N ATOM 408 CA ALA A 27 -4.147 -2.533 2.700 1.00 0.00 C ATOM 409 C ALA A 27 -3.996 -1.362 1.724 1.00 0.00 C ATOM 410 O ALA A 27 -3.365 -0.371 2.035 1.00 0.00 O ATOM 411 CB ALA A 27 -3.373 -3.739 2.172 1.00 0.00 C ATOM 0 H ALA A 27 -5.756 -3.954 2.658 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.775 -2.209 3.672 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.317 -3.484 2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.489 -4.576 2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.760 -4.019 1.192 1.00 0.00 H new ATOM 417 N GLU A 28 -4.581 -1.467 0.553 1.00 0.00 N ATOM 418 CA GLU A 28 -4.480 -0.350 -0.438 1.00 0.00 C ATOM 419 C GLU A 28 -5.051 0.932 0.173 1.00 0.00 C ATOM 420 O GLU A 28 -4.534 2.008 -0.045 1.00 0.00 O ATOM 421 CB GLU A 28 -5.303 -0.791 -1.652 1.00 0.00 C ATOM 422 CG GLU A 28 -4.839 -0.020 -2.896 1.00 0.00 C ATOM 423 CD GLU A 28 -5.921 -0.095 -3.974 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.875 0.660 -3.881 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.778 -0.907 -4.873 1.00 0.00 O ATOM 0 H GLU A 28 -5.121 -2.275 0.243 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.448 -0.142 -0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.188 -1.863 -1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.362 -0.608 -1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.638 1.020 -2.639 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.906 -0.441 -3.271 1.00 0.00 H new ATOM 432 N LYS A 29 -6.096 0.820 0.962 1.00 0.00 N ATOM 433 CA LYS A 29 -6.674 2.039 1.608 1.00 0.00 C ATOM 434 C LYS A 29 -5.688 2.555 2.658 1.00 0.00 C ATOM 435 O LYS A 29 -5.272 3.702 2.632 1.00 0.00 O ATOM 436 CB LYS A 29 -7.976 1.577 2.267 1.00 0.00 C ATOM 437 CG LYS A 29 -9.012 1.241 1.187 1.00 0.00 C ATOM 438 CD LYS A 29 -10.019 2.388 1.059 1.00 0.00 C ATOM 439 CE LYS A 29 -9.590 3.323 -0.074 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.156 2.714 -1.310 1.00 0.00 N ATOM 0 H LYS A 29 -6.569 -0.056 1.184 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.861 2.846 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.789 0.702 2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.360 2.359 2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.514 1.074 0.232 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.530 0.317 1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.014 1.991 0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.078 2.940 1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.973 4.332 0.080 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.504 3.400 -0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.904 3.299 -2.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.768 1.757 -1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.191 2.660 -1.228 1.00 0.00 H new ATOM 454 N ILE A 30 -5.288 1.700 3.571 1.00 0.00 N ATOM 455 CA ILE A 30 -4.303 2.115 4.618 1.00 0.00 C ATOM 456 C ILE A 30 -3.022 2.603 3.938 1.00 0.00 C ATOM 457 O ILE A 30 -2.382 3.535 4.387 1.00 0.00 O ATOM 458 CB ILE A 30 -4.027 0.850 5.442 1.00 0.00 C ATOM 459 CG1 ILE A 30 -5.328 0.358 6.083 1.00 0.00 C ATOM 460 CG2 ILE A 30 -3.010 1.161 6.545 1.00 0.00 C ATOM 461 CD1 ILE A 30 -5.291 -1.168 6.209 1.00 0.00 C ATOM 0 H ILE A 30 -5.603 0.732 3.635 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.674 2.925 5.246 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.627 0.078 4.784 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.456 0.812 7.066 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.182 0.663 5.478 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.818 0.260 7.127 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.080 1.508 6.095 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.408 1.937 7.199 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.217 -1.518 6.665 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.183 -1.612 5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.446 -1.461 6.832 1.00 0.00 H new ATOM 473 N PHE A 31 -2.662 1.984 2.841 1.00 0.00 N ATOM 474 CA PHE A 31 -1.441 2.411 2.102 1.00 0.00 C ATOM 475 C PHE A 31 -1.737 3.716 1.362 1.00 0.00 C ATOM 476 O PHE A 31 -0.910 4.605 1.293 1.00 0.00 O ATOM 477 CB PHE A 31 -1.145 1.283 1.100 1.00 0.00 C ATOM 478 CG PHE A 31 -0.334 0.175 1.746 1.00 0.00 C ATOM 479 CD1 PHE A 31 0.753 0.476 2.580 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.665 -1.164 1.492 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.505 -0.556 3.151 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.090 -2.194 2.068 1.00 0.00 C ATOM 483 CZ PHE A 31 1.175 -1.887 2.894 1.00 0.00 C ATOM 0 H PHE A 31 -3.165 1.199 2.427 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.592 2.584 2.764 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.082 0.877 0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.601 1.685 0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.010 1.506 2.781 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.502 -1.401 0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.342 -0.322 3.792 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.166 -3.225 1.874 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.759 -2.682 3.334 1.00 0.00 H new ATOM 493 N LYS A 32 -2.920 3.831 0.810 1.00 0.00 N ATOM 494 CA LYS A 32 -3.295 5.070 0.069 1.00 0.00 C ATOM 495 C LYS A 32 -3.546 6.245 1.029 1.00 0.00 C ATOM 496 O LYS A 32 -3.767 7.361 0.596 1.00 0.00 O ATOM 497 CB LYS A 32 -4.570 4.721 -0.696 1.00 0.00 C ATOM 498 CG LYS A 32 -4.201 3.940 -1.960 1.00 0.00 C ATOM 499 CD LYS A 32 -5.469 3.381 -2.611 1.00 0.00 C ATOM 500 CE LYS A 32 -6.351 4.537 -3.093 1.00 0.00 C ATOM 501 NZ LYS A 32 -7.582 3.886 -3.622 1.00 0.00 N ATOM 0 H LYS A 32 -3.645 3.114 0.843 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.493 5.387 -0.597 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.234 4.127 -0.068 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.110 5.630 -0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.677 4.590 -2.661 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.520 3.126 -1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.206 2.737 -3.450 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.016 2.766 -1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.585 5.221 -2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.850 5.121 -3.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.706 4.139 -4.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.494 2.853 -3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.407 4.210 -3.078 1.00 0.00 H new ATOM 515 N GLN A 33 -3.464 6.022 2.320 1.00 0.00 N ATOM 516 CA GLN A 33 -3.644 7.148 3.292 1.00 0.00 C ATOM 517 C GLN A 33 -2.268 7.398 3.878 1.00 0.00 C ATOM 518 O GLN A 33 -1.778 8.507 3.955 1.00 0.00 O ATOM 519 CB GLN A 33 -4.621 6.633 4.348 1.00 0.00 C ATOM 520 CG GLN A 33 -6.017 6.512 3.734 1.00 0.00 C ATOM 521 CD GLN A 33 -6.974 5.893 4.754 1.00 0.00 C ATOM 522 OE1 GLN A 33 -7.012 4.689 4.917 1.00 0.00 O ATOM 523 NE2 GLN A 33 -7.757 6.671 5.451 1.00 0.00 N ATOM 0 H GLN A 33 -3.281 5.111 2.742 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.032 8.072 2.863 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.291 5.664 4.722 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.644 7.313 5.200 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.378 7.495 3.431 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.978 5.896 2.836 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.725 7.681 5.314 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.401 6.269 6.132 1.00 0.00 H new ATOM 532 N TYR A 34 -1.621 6.317 4.215 1.00 0.00 N ATOM 533 CA TYR A 34 -0.226 6.348 4.724 1.00 0.00 C ATOM 534 C TYR A 34 0.641 7.167 3.745 1.00 0.00 C ATOM 535 O TYR A 34 1.554 7.872 4.129 1.00 0.00 O ATOM 536 CB TYR A 34 0.124 4.851 4.699 1.00 0.00 C ATOM 537 CG TYR A 34 1.622 4.616 4.722 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.291 4.499 5.946 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.338 4.513 3.523 1.00 0.00 C ATOM 540 CE1 TYR A 34 3.673 4.278 5.973 1.00 0.00 C ATOM 541 CE2 TYR A 34 3.721 4.292 3.548 1.00 0.00 C ATOM 542 CZ TYR A 34 4.389 4.174 4.774 1.00 0.00 C ATOM 543 OH TYR A 34 5.751 3.957 4.800 1.00 0.00 O ATOM 0 H TYR A 34 -2.020 5.380 4.155 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.079 6.805 5.703 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.333 4.358 5.557 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.301 4.395 3.805 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.740 4.579 6.871 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.823 4.604 2.578 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.187 4.188 6.919 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.272 4.213 2.623 1.00 0.00 H new ATOM 0 HH TYR A 34 6.017 3.454 4.002 1.00 0.00 H new ATOM 553 N ALA A 35 0.317 7.084 2.477 1.00 0.00 N ATOM 554 CA ALA A 35 1.062 7.856 1.435 1.00 0.00 C ATOM 555 C ALA A 35 0.944 9.355 1.740 1.00 0.00 C ATOM 556 O ALA A 35 1.926 10.051 1.908 1.00 0.00 O ATOM 557 CB ALA A 35 0.341 7.540 0.118 1.00 0.00 C ATOM 0 H ALA A 35 -0.442 6.506 2.116 1.00 0.00 H new ATOM 0 HA ALA A 35 2.120 7.598 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.828 8.070 -0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.381 6.467 -0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.699 7.858 0.187 1.00 0.00 H new ATOM 563 N ASN A 36 -0.270 9.842 1.803 1.00 0.00 N ATOM 564 CA ASN A 36 -0.503 11.292 2.090 1.00 0.00 C ATOM 565 C ASN A 36 0.114 11.681 3.431 1.00 0.00 C ATOM 566 O ASN A 36 0.749 12.712 3.556 1.00 0.00 O ATOM 567 CB ASN A 36 -2.021 11.445 2.151 1.00 0.00 C ATOM 568 CG ASN A 36 -2.582 11.567 0.732 1.00 0.00 C ATOM 569 OD1 ASN A 36 -2.875 12.653 0.275 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.746 10.491 0.012 1.00 0.00 N ATOM 0 H ASN A 36 -1.118 9.292 1.667 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.050 11.932 1.333 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.463 10.586 2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.285 12.327 2.734 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.120 10.563 -0.934 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.500 9.578 0.395 1.00 0.00 H new ATOM 577 N ASP A 37 -0.077 10.865 4.440 1.00 0.00 N ATOM 578 CA ASP A 37 0.490 11.176 5.796 1.00 0.00 C ATOM 579 C ASP A 37 1.973 11.544 5.703 1.00 0.00 C ATOM 580 O ASP A 37 2.494 12.280 6.519 1.00 0.00 O ATOM 581 CB ASP A 37 0.305 9.896 6.613 1.00 0.00 C ATOM 582 CG ASP A 37 0.177 10.252 8.095 1.00 0.00 C ATOM 583 OD1 ASP A 37 0.858 11.169 8.526 1.00 0.00 O ATOM 584 OD2 ASP A 37 -0.601 9.603 8.775 1.00 0.00 O ATOM 0 H ASP A 37 -0.603 9.993 4.385 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.010 12.030 6.252 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.585 9.363 6.278 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.153 9.228 6.460 1.00 0.00 H new ATOM 589 N ASN A 38 2.642 11.041 4.705 1.00 0.00 N ATOM 590 CA ASN A 38 4.082 11.353 4.526 1.00 0.00 C ATOM 591 C ASN A 38 4.265 12.368 3.392 1.00 0.00 C ATOM 592 O ASN A 38 4.942 13.367 3.542 1.00 0.00 O ATOM 593 CB ASN A 38 4.739 10.017 4.171 1.00 0.00 C ATOM 594 CG ASN A 38 6.089 9.903 4.881 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.245 10.368 5.993 1.00 0.00 O ATOM 596 ND2 ASN A 38 7.080 9.300 4.283 1.00 0.00 N ATOM 0 H ASN A 38 2.246 10.420 3.999 1.00 0.00 H new ATOM 0 HA ASN A 38 4.524 11.795 5.419 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.091 9.192 4.466 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.877 9.944 3.092 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.984 9.220 4.749 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.951 8.909 3.350 1.00 0.00 H new ATOM 603 N GLY A 39 3.668 12.106 2.259 1.00 0.00 N ATOM 604 CA GLY A 39 3.793 13.030 1.094 1.00 0.00 C ATOM 605 C GLY A 39 4.016 12.178 -0.148 1.00 0.00 C ATOM 606 O GLY A 39 5.061 12.223 -0.771 1.00 0.00 O ATOM 0 H GLY A 39 3.092 11.281 2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.893 13.635 0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.625 13.719 1.240 1.00 0.00 H new ATOM 610 N ILE A 40 3.055 11.358 -0.473 1.00 0.00 N ATOM 611 CA ILE A 40 3.197 10.436 -1.627 1.00 0.00 C ATOM 612 C ILE A 40 2.095 10.716 -2.657 1.00 0.00 C ATOM 613 O ILE A 40 0.948 10.911 -2.301 1.00 0.00 O ATOM 614 CB ILE A 40 2.999 9.089 -0.947 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.122 8.884 0.121 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.937 7.952 -1.978 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.101 7.778 -0.259 1.00 0.00 C ATOM 0 H ILE A 40 2.166 11.289 0.022 1.00 0.00 H new ATOM 0 HA ILE A 40 4.135 10.517 -2.176 1.00 0.00 H new ATOM 0 HB ILE A 40 2.039 9.073 -0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.668 9.818 0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.665 8.645 1.081 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.795 7.002 -1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.104 8.124 -2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.868 7.923 -2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.859 7.680 0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.563 6.836 -0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.582 8.027 -1.205 1.00 0.00 H new ATOM 629 N ASP A 41 2.429 10.740 -3.926 1.00 0.00 N ATOM 630 CA ASP A 41 1.386 11.013 -4.967 1.00 0.00 C ATOM 631 C ASP A 41 1.929 10.755 -6.379 1.00 0.00 C ATOM 632 O ASP A 41 2.646 11.562 -6.939 1.00 0.00 O ATOM 633 CB ASP A 41 1.012 12.492 -4.796 1.00 0.00 C ATOM 634 CG ASP A 41 2.260 13.370 -4.932 1.00 0.00 C ATOM 635 OD1 ASP A 41 2.991 13.480 -3.962 1.00 0.00 O ATOM 636 OD2 ASP A 41 2.463 13.915 -6.005 1.00 0.00 O ATOM 0 H ASP A 41 3.371 10.584 -4.284 1.00 0.00 H new ATOM 0 HA ASP A 41 0.524 10.357 -4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.274 12.777 -5.545 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.552 12.648 -3.820 1.00 0.00 H new ATOM 641 N GLY A 42 1.578 9.634 -6.956 1.00 0.00 N ATOM 642 CA GLY A 42 2.051 9.308 -8.335 1.00 0.00 C ATOM 643 C GLY A 42 1.181 8.190 -8.918 1.00 0.00 C ATOM 644 O GLY A 42 0.055 8.416 -9.318 1.00 0.00 O ATOM 0 H GLY A 42 0.981 8.927 -6.528 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.998 10.193 -8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.095 8.996 -8.309 1.00 0.00 H new ATOM 648 N GLU A 43 1.697 6.988 -8.968 1.00 0.00 N ATOM 649 CA GLU A 43 0.903 5.845 -9.528 1.00 0.00 C ATOM 650 C GLU A 43 0.603 4.808 -8.436 1.00 0.00 C ATOM 651 O GLU A 43 1.078 4.917 -7.328 1.00 0.00 O ATOM 652 CB GLU A 43 1.798 5.240 -10.611 1.00 0.00 C ATOM 653 CG GLU A 43 0.936 4.786 -11.791 1.00 0.00 C ATOM 654 CD GLU A 43 1.839 4.418 -12.971 1.00 0.00 C ATOM 655 OE1 GLU A 43 2.742 5.185 -13.262 1.00 0.00 O ATOM 656 OE2 GLU A 43 1.612 3.376 -13.563 1.00 0.00 O ATOM 0 H GLU A 43 2.634 6.746 -8.646 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.060 6.169 -9.923 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.531 5.975 -10.944 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.355 4.394 -10.207 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.329 3.928 -11.503 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.248 5.581 -12.080 1.00 0.00 H new ATOM 663 N TRP A 44 -0.181 3.807 -8.754 1.00 0.00 N ATOM 664 CA TRP A 44 -0.527 2.743 -7.751 1.00 0.00 C ATOM 665 C TRP A 44 -0.839 1.438 -8.476 1.00 0.00 C ATOM 666 O TRP A 44 -1.649 1.404 -9.384 1.00 0.00 O ATOM 667 CB TRP A 44 -1.785 3.240 -7.037 1.00 0.00 C ATOM 668 CG TRP A 44 -1.408 4.107 -5.889 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.210 5.444 -5.944 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.189 3.714 -4.512 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.872 5.894 -4.682 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.846 4.864 -3.764 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.252 2.478 -3.847 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.573 4.793 -2.401 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.976 2.402 -2.471 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.637 3.559 -1.752 1.00 0.00 C ATOM 0 H TRP A 44 -0.602 3.678 -9.674 1.00 0.00 H new ATOM 0 HA TRP A 44 0.292 2.561 -7.056 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.413 3.796 -7.733 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.373 2.392 -6.686 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.301 6.058 -6.828 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.667 6.867 -4.457 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.513 1.584 -4.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.314 5.685 -1.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.025 1.449 -1.965 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.425 3.494 -0.695 1.00 0.00 H new ATOM 687 N THR A 45 -0.215 0.363 -8.077 1.00 0.00 N ATOM 688 CA THR A 45 -0.486 -0.948 -8.743 1.00 0.00 C ATOM 689 C THR A 45 -0.472 -2.052 -7.702 1.00 0.00 C ATOM 690 O THR A 45 0.435 -2.139 -6.900 1.00 0.00 O ATOM 691 CB THR A 45 0.637 -1.174 -9.769 1.00 0.00 C ATOM 692 OG1 THR A 45 1.816 -1.599 -9.101 1.00 0.00 O ATOM 693 CG2 THR A 45 0.924 0.114 -10.538 1.00 0.00 C ATOM 0 H THR A 45 0.469 0.333 -7.321 1.00 0.00 H new ATOM 0 HA THR A 45 -1.459 -0.950 -9.234 1.00 0.00 H new ATOM 0 HB THR A 45 0.317 -1.942 -10.473 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.617 -1.757 -8.155 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.721 -0.063 -11.260 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.023 0.433 -11.063 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.233 0.893 -9.841 1.00 0.00 H new ATOM 701 N TYR A 46 -1.461 -2.896 -7.721 1.00 0.00 N ATOM 702 CA TYR A 46 -1.509 -4.011 -6.735 1.00 0.00 C ATOM 703 C TYR A 46 -0.945 -5.288 -7.376 1.00 0.00 C ATOM 704 O TYR A 46 -1.369 -5.696 -8.442 1.00 0.00 O ATOM 705 CB TYR A 46 -2.993 -4.176 -6.370 1.00 0.00 C ATOM 706 CG TYR A 46 -3.176 -5.438 -5.551 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.464 -5.601 -4.358 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.030 -6.449 -6.002 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.606 -6.777 -3.614 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.177 -7.624 -5.257 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.464 -7.789 -4.064 1.00 0.00 C ATOM 712 OH TYR A 46 -3.608 -8.951 -3.334 1.00 0.00 O ATOM 0 H TYR A 46 -2.241 -2.864 -8.377 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.911 -3.810 -5.846 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.338 -3.310 -5.805 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.598 -4.227 -7.276 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.805 -4.819 -4.011 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.576 -6.323 -6.925 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.055 -6.905 -2.694 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.840 -8.403 -5.602 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.241 -9.546 -3.787 1.00 0.00 H new ATOM 722 N ASP A 47 -0.008 -5.923 -6.722 1.00 0.00 N ATOM 723 CA ASP A 47 0.574 -7.178 -7.273 1.00 0.00 C ATOM 724 C ASP A 47 -0.133 -8.384 -6.648 1.00 0.00 C ATOM 725 O ASP A 47 0.176 -8.793 -5.545 1.00 0.00 O ATOM 726 CB ASP A 47 2.051 -7.146 -6.875 1.00 0.00 C ATOM 727 CG ASP A 47 2.863 -7.996 -7.854 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.775 -9.210 -7.769 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.561 -7.419 -8.671 1.00 0.00 O ATOM 0 H ASP A 47 0.379 -5.624 -5.827 1.00 0.00 H new ATOM 0 HA ASP A 47 0.457 -7.257 -8.354 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.417 -6.119 -6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.173 -7.525 -5.860 1.00 0.00 H new ATOM 734 N ASP A 48 -1.085 -8.950 -7.350 1.00 0.00 N ATOM 735 CA ASP A 48 -1.832 -10.131 -6.804 1.00 0.00 C ATOM 736 C ASP A 48 -0.949 -11.391 -6.758 1.00 0.00 C ATOM 737 O ASP A 48 -1.369 -12.423 -6.269 1.00 0.00 O ATOM 738 CB ASP A 48 -3.015 -10.341 -7.760 1.00 0.00 C ATOM 739 CG ASP A 48 -2.521 -10.543 -9.202 1.00 0.00 C ATOM 740 OD1 ASP A 48 -1.336 -10.775 -9.388 1.00 0.00 O ATOM 741 OD2 ASP A 48 -3.344 -10.460 -10.100 1.00 0.00 O ATOM 0 H ASP A 48 -1.378 -8.646 -8.278 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.155 -9.951 -5.779 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.594 -11.209 -7.444 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.681 -9.480 -7.716 1.00 0.00 H new ATOM 746 N ALA A 49 0.262 -11.317 -7.253 1.00 0.00 N ATOM 747 CA ALA A 49 1.164 -12.505 -7.227 1.00 0.00 C ATOM 748 C ALA A 49 2.034 -12.465 -5.970 1.00 0.00 C ATOM 749 O ALA A 49 2.469 -13.487 -5.473 1.00 0.00 O ATOM 750 CB ALA A 49 2.026 -12.377 -8.483 1.00 0.00 C ATOM 0 H ALA A 49 0.664 -10.480 -7.675 1.00 0.00 H new ATOM 0 HA ALA A 49 0.615 -13.447 -7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.719 -13.217 -8.536 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.386 -12.378 -9.365 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.589 -11.444 -8.444 1.00 0.00 H new ATOM 756 N THR A 50 2.278 -11.288 -5.445 1.00 0.00 N ATOM 757 CA THR A 50 3.105 -11.170 -4.212 1.00 0.00 C ATOM 758 C THR A 50 2.361 -10.344 -3.154 1.00 0.00 C ATOM 759 O THR A 50 2.916 -10.006 -2.125 1.00 0.00 O ATOM 760 CB THR A 50 4.379 -10.448 -4.653 1.00 0.00 C ATOM 761 OG1 THR A 50 4.038 -9.182 -5.198 1.00 0.00 O ATOM 762 CG2 THR A 50 5.102 -11.284 -5.711 1.00 0.00 C ATOM 0 H THR A 50 1.937 -10.404 -5.822 1.00 0.00 H new ATOM 0 HA THR A 50 3.321 -12.141 -3.767 1.00 0.00 H new ATOM 0 HB THR A 50 5.035 -10.309 -3.794 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.853 -8.717 -5.480 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.010 -10.768 -6.024 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.363 -12.255 -5.291 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.449 -11.425 -6.572 1.00 0.00 H new ATOM 770 N LYS A 51 1.108 -10.007 -3.398 1.00 0.00 N ATOM 771 CA LYS A 51 0.327 -9.193 -2.409 1.00 0.00 C ATOM 772 C LYS A 51 1.081 -7.903 -2.076 1.00 0.00 C ATOM 773 O LYS A 51 1.133 -7.478 -0.938 1.00 0.00 O ATOM 774 CB LYS A 51 0.185 -10.074 -1.160 1.00 0.00 C ATOM 775 CG LYS A 51 -0.543 -11.372 -1.522 1.00 0.00 C ATOM 776 CD LYS A 51 -2.055 -11.149 -1.456 1.00 0.00 C ATOM 777 CE LYS A 51 -2.775 -12.486 -1.628 1.00 0.00 C ATOM 778 NZ LYS A 51 -4.140 -12.263 -1.075 1.00 0.00 N ATOM 0 H LYS A 51 0.596 -10.263 -4.242 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.647 -8.903 -2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.169 -10.300 -0.749 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.368 -9.539 -0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.256 -11.694 -2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.252 -12.167 -0.836 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.326 -10.698 -0.501 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.365 -10.454 -2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.817 -12.779 -2.677 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.259 -13.284 -1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.695 -13.138 -1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.069 -11.992 -0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.610 -11.503 -1.607 1.00 0.00 H new ATOM 792 N THR A 52 1.673 -7.289 -3.067 1.00 0.00 N ATOM 793 CA THR A 52 2.436 -6.028 -2.821 1.00 0.00 C ATOM 794 C THR A 52 1.965 -4.923 -3.774 1.00 0.00 C ATOM 795 O THR A 52 1.888 -5.120 -4.972 1.00 0.00 O ATOM 796 CB THR A 52 3.896 -6.389 -3.101 1.00 0.00 C ATOM 797 OG1 THR A 52 4.180 -7.669 -2.551 1.00 0.00 O ATOM 798 CG2 THR A 52 4.812 -5.344 -2.466 1.00 0.00 C ATOM 0 H THR A 52 1.661 -7.606 -4.036 1.00 0.00 H new ATOM 0 HA THR A 52 2.293 -5.652 -1.808 1.00 0.00 H new ATOM 0 HB THR A 52 4.065 -6.411 -4.178 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.134 -8.346 -3.258 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.852 -5.602 -2.666 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.594 -4.363 -2.889 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.645 -5.320 -1.389 1.00 0.00 H new ATOM 806 N PHE A 53 1.657 -3.761 -3.248 1.00 0.00 N ATOM 807 CA PHE A 53 1.198 -2.639 -4.124 1.00 0.00 C ATOM 808 C PHE A 53 2.420 -1.889 -4.680 1.00 0.00 C ATOM 809 O PHE A 53 3.542 -2.333 -4.513 1.00 0.00 O ATOM 810 CB PHE A 53 0.356 -1.739 -3.214 1.00 0.00 C ATOM 811 CG PHE A 53 -0.929 -2.448 -2.836 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.927 -3.405 -1.811 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.123 -2.152 -3.513 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.118 -4.062 -1.461 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.307 -2.813 -3.162 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.305 -3.765 -2.138 1.00 0.00 C ATOM 0 H PHE A 53 1.704 -3.543 -2.253 1.00 0.00 H new ATOM 0 HA PHE A 53 0.619 -2.980 -4.982 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.920 -1.485 -2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.129 -0.802 -3.723 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.009 -3.637 -1.291 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.128 -1.416 -4.303 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.117 -4.796 -0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.225 -2.586 -3.684 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.221 -4.271 -1.870 1.00 0.00 H new ATOM 826 N THR A 54 2.227 -0.760 -5.332 1.00 0.00 N ATOM 827 CA THR A 54 3.388 -0.004 -5.881 1.00 0.00 C ATOM 828 C THR A 54 2.975 1.450 -6.017 1.00 0.00 C ATOM 829 O THR A 54 2.359 1.838 -6.991 1.00 0.00 O ATOM 830 CB THR A 54 3.686 -0.614 -7.254 1.00 0.00 C ATOM 831 OG1 THR A 54 3.413 -2.009 -7.233 1.00 0.00 O ATOM 832 CG2 THR A 54 5.158 -0.390 -7.601 1.00 0.00 C ATOM 0 H THR A 54 1.315 -0.337 -5.503 1.00 0.00 H new ATOM 0 HA THR A 54 4.271 -0.058 -5.244 1.00 0.00 H new ATOM 0 HB THR A 54 3.055 -0.136 -8.003 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.167 -2.308 -8.133 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.372 -0.824 -8.578 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.367 0.679 -7.625 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.786 -0.866 -6.848 1.00 0.00 H new ATOM 840 N VAL A 55 3.284 2.246 -5.035 1.00 0.00 N ATOM 841 CA VAL A 55 2.876 3.681 -5.086 1.00 0.00 C ATOM 842 C VAL A 55 4.033 4.569 -5.554 1.00 0.00 C ATOM 843 O VAL A 55 4.980 4.824 -4.836 1.00 0.00 O ATOM 844 CB VAL A 55 2.381 4.045 -3.666 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.401 3.639 -2.601 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.123 5.554 -3.571 1.00 0.00 C ATOM 0 H VAL A 55 3.800 1.969 -4.200 1.00 0.00 H new ATOM 0 HA VAL A 55 2.080 3.845 -5.812 1.00 0.00 H new ATOM 0 HB VAL A 55 1.455 3.499 -3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.024 3.908 -1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.565 2.562 -2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.343 4.157 -2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.775 5.801 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.046 6.095 -3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.364 5.840 -4.299 1.00 0.00 H new ATOM 856 N THR A 56 3.932 5.055 -6.761 1.00 0.00 N ATOM 857 CA THR A 56 4.981 5.952 -7.315 1.00 0.00 C ATOM 858 C THR A 56 4.630 7.399 -6.934 1.00 0.00 C ATOM 859 O THR A 56 3.512 7.688 -6.549 1.00 0.00 O ATOM 860 CB THR A 56 4.922 5.695 -8.841 1.00 0.00 C ATOM 861 OG1 THR A 56 5.779 4.609 -9.159 1.00 0.00 O ATOM 862 CG2 THR A 56 5.362 6.928 -9.647 1.00 0.00 C ATOM 0 H THR A 56 3.155 4.865 -7.394 1.00 0.00 H new ATOM 0 HA THR A 56 5.988 5.773 -6.937 1.00 0.00 H new ATOM 0 HB THR A 56 3.889 5.469 -9.105 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.695 4.938 -9.273 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.306 6.705 -10.713 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.705 7.767 -9.417 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.387 7.188 -9.384 1.00 0.00 H new ATOM 870 N GLU A 57 5.573 8.299 -7.037 1.00 0.00 N ATOM 871 CA GLU A 57 5.295 9.722 -6.681 1.00 0.00 C ATOM 872 C GLU A 57 5.765 10.652 -7.803 1.00 0.00 C ATOM 873 O GLU A 57 4.920 11.279 -8.419 1.00 0.00 O ATOM 874 CB GLU A 57 6.094 9.977 -5.403 1.00 0.00 C ATOM 875 CG GLU A 57 5.791 11.382 -4.880 1.00 0.00 C ATOM 876 CD GLU A 57 6.820 12.367 -5.438 1.00 0.00 C ATOM 877 OE1 GLU A 57 8.002 12.111 -5.280 1.00 0.00 O ATOM 878 OE2 GLU A 57 6.409 13.360 -6.015 1.00 0.00 O ATOM 879 OXT GLU A 57 6.962 10.718 -8.026 1.00 0.00 O ATOM 0 H GLU A 57 6.524 8.110 -7.353 1.00 0.00 H new ATOM 0 HA GLU A 57 4.231 9.910 -6.539 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.838 9.234 -4.648 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.161 9.874 -5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.786 11.683 -5.176 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.818 11.390 -3.790 1.00 0.00 H new TER 886 GLU A 57